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Water-Silica Interactions from Quantum Calculations and Non-Markovian Meta-Dynamics
Water-Silica Interactions from Quantum Calculations and Non-Markovian Meta-Dynamics
2006
Yingxia Wan
Haiping Cheng
Keywords:
First principle
Chemical reaction
Markov process
Born–Oppenheimer approximation
Molecular dynamics
Quantum mechanics
Physics
Quantum
Correction
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